Geometry & MOs

Info

ID:	11219
PubChem CID:	112039
Reduced:	O5C8H12 (1)
Stoich.:	A5B8C12 (1)
Weight, g/mol:	188.068473
ΔH_f, kcal/mol:	-223.15
Dipole, Da:	4.04
IP(EA), eV:	-10.56(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-acetylbutanedioate

Drug info:

PubChemData

Smile

CC(=O)C(CC(=O)OC)C(=O)OC

DOS

IR

Vibrations